SCHEMBL9706733

SCHEMBL9706733

CC(C)OC(=O)C(C(=O)Oc1cccc2[nH]nnc12)=C1SC=CS1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.52
PDE4D Q08499 1/20 0.52
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2849876 0.79 KDM4E (0.37) MAPTKDM4ELMNATP53L3MBTL1
SCHEMBL8844752 0.77 MAPT (0.33) MAPTKDM4ELMNA
SCHEMBL818765 0.73 ELANE (0.37) MAPT
SCHEMBL27464332 0.73 ATM (0.34) MAPTLMNAL3MBTL1
Malotilate SCHEMBL635496 0.72 ADRA1A (1.00) ADRA1APDE4DKDM4E
SCHEMBL7707716 0.71 SLC22A6 (0.44) ADRA1APDE4DMAPTKDM4ELMNA
SCHEMBL44289 0.71 MAPT (0.33) MAPTKDM4ELMNA
SCHEMBL30442196 0.71 ACHE (0.39) MAPTKDM4ELMNATP53L3MBTL1
SCHEMBL44290 0.70 LMNA (0.35) MAPTKDM4ELMNAL3MBTL1
SCHEMBL14690221 0.69 MAPT (0.32) MAPTKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed